5KKR

KSR2:MEK1 Complex Bound to the Small Molecule APS-2-79

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.033
Spacegroup name	P 61 2 2
Unit cell lengths	139.680, 139.680, 221.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.808 - 3.509
R-factor	0.2519
Rwork	0.250
R-free	0.28740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y4i
RMSD bond length	0.002
RMSD bond angle	0.582
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.808
High resolution limit [Å]	3.500
Number of reflections	16616
<I/σ(I)>	18.3
Completeness [%]	99.9
Redundancy	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	293	12% PEG-3350 100mM Bis-Tris 200mM Sodium Citrate 10mM Magnesium Acetate